[gmx-users] Atomtype OWT3 not found during EM step

juganta juganta280 at yahoo.com
Wed Jul 3 18:46:04 CEST 2013

Dear all,

I am a new user of GOMACS. My system contains Polymer and Water. I used
gromos53a6 force field and spc water model, it ran nicely.

But now I want to use TIP3P water model with the same force field
(gromos53a6), in that case, I am getting a error message from the 'grompp'
during energy minimization step - "Fatal error: Atomtype OWT3 not found".

>From GMX users Forum I got some information to resolve this problem. Such
that, I added OWT3 at the bottom of the  .atp file of the related force
field and also edited the nonbonded.itp file. But I couldn't get rid of such
kind of error.

Would you please give me suggestion to fix it?

Thanks in advance for the help.


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